N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H18N4O4S2 — CID 107155397

IUPACN-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(O)CC(C)C)s1
InChIInChI=1S/C10H18N4O4S2/c1-6(2)4-8(16)5-11-20(17,18)10-14-13-9(19-10)12-7(3)15/h6,8,11,16H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyKBECXWVDTMPHBO-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.18
Rot. Bonds7

About N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 107155397) has the molecular formula C10H18N4O4S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID107155397
Molecular FormulaC10H18N4O4S2
Molecular Weight322.41 g/mol
Exact Mass322.08
IUPAC NameN-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(O)CC(C)C)s1
InChIInChI=1S/C10H18N4O4S2/c1-6(2)4-8(16)5-11-20(17,18)10-14-13-9(19-10)12-7(3)15/h6,8,11,16H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyKBECXWVDTMPHBO-UHFFFAOYSA-N
XLogP0.18
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

3-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylamino]-2-hydroxypropanoic acid
CID 113383289
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-(2-methoxyethoxysulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110417348
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
(5-acetamido-1,3,4-thiadiazol-2-yl)sulfonylazanide
CID 24906315
2-methyl-N-[5-(2-phenylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 133218755
N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[5-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 106157438

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 107155397) is N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCC(O)CC(C)C)s1.
What is the InChIKey of N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is KBECXWVDTMPHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S2/c1-6(2)4-8(16)5-11-20(17,18)10-14-13-9(19-10)12-7(3)15/h6,8,11,16H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-hydroxy-4-methylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 107155397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).